Ethyl nipecotate → 1-(1-{4-[(2-Phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-piperidine-4-carbonyl)-piperidine-3-carboxylic acid ethyl ester

반응식

[CH2:34]([CH3:35])[O:36][C:37](=[O:38])[CH:39]1[CH2:40][NH:41][CH2:42][CH2:43][CH2:44]1.[c:1]1(-[c:7]2[o:8][c:9]([C:30]([F:31])([F:32])[F:33])[c:10]([C:12](=[O:13])[NH:14][c:15]3[cH:16][cH:17][c:18]([N:21]4[CH2:22][CH2:23][CH:24]([C:27](=[O:28])[OH:29])[CH2:25][CH2:26]4)[cH:19][cH:20]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[o:8][c:9]([C:30]([F:31])([F:32])[F:33])[c:10]([C:12](=[O:13])[NH:14][c:15]3[cH:16][cH:17][c:18]([N:21]4[CH2:22][CH2:23][CH:24]([C:27](=[O:28])[N:41]5[CH2:40][CH:39]([C:37]([O:36][CH2:34][CH3:35])=[O:38])[CH2:44][CH2:43][CH2:42]5)[CH2:25][CH2:26]4)[cH:19][cH:20]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

반응물 2

HCID 98969Ethyl nipecotate

HCID 576521231-{4-[(2-Phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-piperidine-4-carboxylic acid

생성물 1

HCID 251204221-(1-{4-[(2-Phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-piperidine-4-carbonyl)-piperidine-3-carboxylic acid ethyl ester

출처 및 근거

ORD 기록: ord-d7d59c8980ca4138ac965e14e6093677
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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